CID 126821714

Tert-butyl n-[3,3,3-trifluoro-2-(methylamino)propyl]carbamate

Structural Information

Molecular Formula
C9H17F3N2O2
SMILES
CC(C)(C)OC(=O)NCC(C(F)(F)F)NC
InChI
InChI=1S/C9H17F3N2O2/c1-8(2,3)16-7(15)14-5-6(13-4)9(10,11)12/h6,13H,5H2,1-4H3,(H,14,15)
InChIKey
WBKUZPDONICIRE-UHFFFAOYSA-N
Compound name
tert-butyl N-[3,3,3-trifluoro-2-(methylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

242.1242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13148 152.6
[M+Na]+ 265.11342 157.9
[M-H]- 241.11692 148.9
[M+NH4]+ 260.15802 169.7
[M+K]+ 281.08736 157.8
[M+H-H2O]+ 225.12146 145.1
[M+HCOO]- 287.12240 169.9
[M+CH3COO]- 301.13805 197.1
[M+Na-2H]- 263.09887 155.9
[M]+ 242.12365 149.0
[M]- 242.12475 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe